![4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile structure](/static/products/6258/62584-75-2.webp)
4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile
TL;DR: 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile (CAS 62584-75-2) is a chemical compound with molecular formula C16H12BrNO and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile
Also Known As: 4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile, Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]-, T0520-7539
| Molecular Formula | C16H12BrNO |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 4.13628 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.01022 |
| Heavy Atoms | 19 |
| Complexity | 608.6923 |
Chemical Identifiers
| CAS Number | 62584-75-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)C2=CC=C(C=C2)Br)C#N |
Product Overview
4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile (CAS 62584-75-2), with molecular formula C16H12BrNO and molecular weight 313.01 g/mol. IUPAC: 4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile.
Chemical Property Profile of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile
Property Insights of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile
The XLogP value of 4.13628 indicates that 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile?
The CAS number of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile is 62584-75-2.
What is the molecular formula of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile?
The molecular formula of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile is C16H12BrNO.
What is the molecular weight of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile?
The molecular weight of 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile is 313.01 g/mol.
Where can I buy 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile?
You can request a quote for 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Bromophenyl)-3-oxopropyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.